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Award ID contains: 1954853

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  1. ; ; ; ; ; ; ; ; (, Organometallics)
    Monoligated and bis-ligated CCC-NHC pincer Fe complexes with n-butyl substituents have been synthesized by the Zr metalation/transmetalation route. Both the direct metalation/transmetalation and transmetalation from the isolated (BuCiCiCBu)ZrNMe2Cl2, 3, yielded the octahedrally coordinated Fe(III) bis-ligated complex [(BuCiCiCBu)2Fe]Cl, 2a. Transmetalation from in situ and isolated (BuCiCiCBu)ZrCl3, 5, in the presence of excess TMSCl and 1 equiv of the Fe source yielded the monoligated (BuCiCiCBu)FeCl2, 4. Conditions that convert [(BuCiCiCBu)2Fe]+, 2, to (BuCiCiCBu)FeCl2, 4, complex have been found. Characterization included 1H NMR, UV−visible, femtosecond transient absorption spectroscopies, TDDFT computations, and mass spectroscopy along with X-ray crystallographic structure determinations. 
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  2. ; ; ; ; ; ; ; (, Physical Chemistry Chemical Physics)
    Controlling electron transfer (ET) processes in donor–bridge–acceptor (DBA) compounds by mid-IR excitation can enhance our understanding of the ET dynamics and may find practical applications in molecular sensing and molecular-scale electronics. 
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  3. ; ; ; ; ; ; ; (, International Conference on Time Resolved Vibrational Spectroscopy)
    Kubarych, Kevin; Ogilvie, Jennifer (Ed.)
    Photoinduced electron transfer (ET) between electron donor (dimethylaniline) and acceptor (N-isopropyl-1,8-napthalimide) covalently linked by ethyne bridge is investigated by a mid-IR transient absorption spectroscopy and TD-DFT computations. We found that electronic and vibrational properties of the complex, including ET rate, depends strongly on the D-A torsion angle. 
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